SCHEMBL3916746

SCHEMBL3916746

COc1ccc(COC(C)=O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTT P42858 1/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAOB P27338 3/20 0.42
GLA P06280 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
GAA P10253 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27621744 0.83 APLNR (0.53) POLBALDH1A1MEN1KMT2AHSD17B10
SCHEMBL27955323 0.82 MAPT (0.46) POLBHTTHPGDALDH1A1CYP3A4
SCHEMBL4316026 0.81 ALDH1A1 (0.54) HTTALDH1A1CYP3A4NPC1RAB9A
SCHEMBL13034128 0.80 HSD17B10 (0.61) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL14700558 0.80 ACHE (0.49) POLBHTTHPGDALDH1A1NPC1
SCHEMBL1922374 0.79 CYP3A4 (0.49) POLBHTTHPGDALDH1A1CYP3A4
SCHEMBL13034125 0.79 MTNR1B (0.48) POLBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL27835389 0.79 TDP1 (0.44) POLBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL7704446 0.78 KMT2A (0.46) POLBHTTHPGDALDH1A1MEN1
Butane SCHEMBL8150861 0.78 POLB (0.46) POLBHTTHPGDALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD POLB 2893/4885HTT 4403/4885HPGD 1276/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG POLB 1892/4885HTT 4361/4885HPGD 749/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD POLB 2667/4885HTT 4284/4885HPGD 1226/4885
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD POLB 911/4885HTT 3420/4885HPGD 269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.